3-[2,6-bis(bromanyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-1-ium-1-yl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[2,6-bis(bromanyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-1-ium-1-yl]-1H-quinazoline-2,4-dione Openeye Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-3-(oxomethylene)-1-(4-pyridyl)piperazin-1-ium-1-yl]-1H-quinazoline-2,4-dione CAS Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-3-(oxomethylidene)-1-pyridin-4-yl-1-piperazin-1-iumyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-1-ium-1-yl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2,6-dibromo-4-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-3-(ketomethylene)-1-(4-pyridyl)piperazin-1-ium-1-yl]-1H-quinazoline-2,4-quinone Formula: C32H32Br2N7O5+ MolecularWeight: 754.44838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC([N+](C(C3=C=O)Br)(C4=CC=NC=C4)N5C(=O)C6=CC=CC=C6NC5=O)Br

Isomeric SMILES

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC([N+](C(C3=C=O)Br)(C4=CC=NC=C4)N5C(=O)C6=CC=CC=C6NC5=O)Br

InChI

InChI=1S/C32H31Br2N7O5/c33-28-19-39(31(45)26(37-38-16-4-1-5-17-38)18-21-8-10-23(43)11-9-21)27(20-42)29(34)41(28,22-12-14-35-15-13-22)40-30(44)24-6-2-3-7-25(24)36-32(40)46/h2-3,6-15,26,28-29,37H,1,4-5,16-19H2,(H-,36,43,44,46)/p+1